include/calcgrid.h

   1 /*
   2  *
   3  *                This source code is part of
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   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
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  15  * This program is free software; you can redistribute it and/or
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  35
  36 #include "typedefs.h"
  37
  38 #ifdef __cplusplus
  39 extern "C" {
  40 #endif
  41
  42 real calc_grid(FILE *fp,
  43                       matrix box,real gr_sp,
  44                       int *nx,int *ny,int *nz);
  45 /* Sets the number of grid points for each zero n* to the first reasonable
  46  * number which gives a spacing equal to or smaller than gr_sp.
  47  * Returns the maximum grid spacing.
  48  */
  49
  50 #ifdef __cplusplus
  51 }
  52 #endif